* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    148    236     441
    1     0 S   NP   _N1_     1    28.82107    95.18960   -23.97435
    2     1 S   H    _HN1     2     1.02788   109.28406   -98.04092
    3     1 S   H    _H1_     3     1.02949    78.81763     7.68896
    4     1 S   H    _H2_     4     1.02829    29.73569   169.46868
    5     1 S   CT   _CA1     5     1.50114   131.17061   115.10815
    6     5 S   HC   _HA1     6     1.09574   105.18930    84.79763
    7     5 S   CO3  _C1_     7     1.53785   112.44597   -35.43242
    8     7 S   O2Z  _O11     8     1.26374   115.00540   -42.97821
    9     7 S   O2Z  _O12     9     1.26240   114.94521   136.12046
   10     5 S   CT   _CB1    10     1.53076   107.41696  -157.23038
   11    10 S   HC   HB11    11     1.09835   109.36306   -49.67586
   12    10 S   HC   HB12    12     1.09814   110.46418    66.93279
   13    10 S   CT   _CG1    13     1.52994   112.60168  -170.64155
   14    13 S   HC   HG11    14     1.09580   110.64268   -65.90722
   15    13 S   HC   HG12    15     1.09670   109.77585    53.33088
   16    13 S   C    _CD1    16     1.51797   112.18093   173.77899
   17    16 S   O    _OE1    17     1.22749   123.25573     7.58747
   18    16 S   N    _N2_    18     1.38701   111.68776  -172.40446
   19    18 S   H    _HN2    19     1.01573   119.00039     1.82263
   20    18 S   CT1  _CA2    20     1.46150   123.28570   177.61296
   21    20 S   HC   _HA2    21     1.09755   109.22760     5.05966
   22    20 S   C    _C2_    22     1.53576   108.86096  -110.38862
   23    22 S   O    _O2_    23     1.23073   122.22440  -148.47155
   24    20 S   CT   _CB2    32     1.53392   111.85525   126.87265
   25    24 S   HC   HB21    33     1.09572   110.53606    57.92105
   26    24 S   HC   HB22    34     1.09411   109.52815   176.87513
   27    22 S   N    _N3_    24     1.38311   113.79520    39.02468
   28    27 S   H    _HN3    25     1.01566   119.62080    -3.40139
   29    24 S   S    _SG2    35     1.82518   111.39334   -62.85217
   30    27 S   CT   _CA3    26     1.45284   123.22802   177.07417
   31    30 S   HC   HA31    27     1.09549   107.51691   -64.33937
   32    30 S   HC   HA32    28     1.09556   107.98070    52.10160
   33    29 S   CT   _C10    36     1.82491    99.86480  -173.21207
   34    33 S   HC   _H6_    37     1.09937   105.33257   -59.27582
   35    30 S   CO3  _C3_    29     1.52963   114.07043   174.08374
   36    35 S   O2Z  _O31    30     1.26377   116.07555    -0.96894
   37    35 S   O2Z  _O32    31     1.26428   114.41179   179.09583
   38    33 S   CT   _C9_    38     1.54264   118.10219    62.31871
   39    38 S   HC   _H5_    39     1.09629   109.93938   -81.52349
   40    33 S   CT   _C11    50     1.54510   112.18969  -177.13727
   41    40 S   HC   _H7_    51     1.09475   113.95386   -16.47348
   42    38 S   CT   _C8_    40     1.54519   116.85404    44.20121
   43    42 S   HC   _H14    41     1.09753   108.01225  -179.22016
   44    42 S   HC   _H15    42     1.09623   109.92522   -64.41619
   45    40 S   OH   _O33    52     1.42750   108.84812   103.00515
   46    45 S   HO   _H16    53     0.97233   107.39999   176.62153
   47    42 S   CT   _C7_    43     1.53896   114.68130    60.22080
   48    47 S   HC   _H4_    44     1.09716   108.18789   153.37491
   49    47 S   CT   _C6_    45     1.53881   113.26851    31.36390
   50    49 S   HC   _H12    46     1.09673   110.34123  -154.64882
   51    49 S   HC   _H13    47     1.09667   108.74662    89.19251
   52    47 S   OS   _O34    59     1.44443   107.60582   -90.20126
   53    49 S   CT   _C5_    48     1.54275   113.68295   -32.28956
   54    53 S   HC   _H3_    49     1.09574   110.31871   177.27883
   55    52 S   CO4  _C12    60     1.36474   118.19508  -153.22128
   56    55 S   O    _O35    61     1.22386   125.46535     0.17246
   57    38 S   NTH0 _N4_    54     1.47002    97.89060   163.12638
   58    55 S   CT   _C13    62     1.52355   109.32403   179.49255
   59    58 S   HC   _H8_    63     1.09933   107.02579    32.31175
   60    57 S   CT   _C4_    55     1.45030   116.46350   176.05027
   61    60 S   HC   _H9_    56     1.09550   109.96447   -60.42710
   62    60 S   HC   _H10    57     1.09549   110.01981  -177.58232
   63    60 S   HC   _H11    58     1.09351   114.48245    60.91674
   64    58 S   CA   _C15    64     1.51987   111.04805   149.42051
   65    58 S   CT   _C14    75     1.53388   109.64054   -84.92589
   66    65 S   HC   _H17    76     1.09536   112.00729   -44.34137
   67    65 S   HC   _H18    77     1.09565   110.91019  -166.06172
   68    64 S   CA   _C16    65     1.40412   119.42462   -98.79125
   69    68 S   HA   _H20    66     1.08761   120.42512    -0.83463
   70    65 S   OH   _O36    78     1.42378   109.57720    75.57775
   71    70 S   HO   _H19    79     0.97253   107.35551   173.67309
   72    68 S   CA   _C17    67     1.39623   120.74122   179.22772
   73    72 S   HA   _H21    68     1.08628   119.92448   179.75611
   74    72 S   CA   _C18    69     1.39269   120.07757    -0.35498
   75    74 S   HA   _H22    70     1.08608   120.06654  -179.91607
   76    74 S   CA   _C19    71     1.39287   119.87270    -0.18345
   77    76 S   HA   _H23    72     1.08634   119.96346  -179.53480
   78    64 S   CA   _C20    73     1.40370   122.06129    79.52580
   79    78 S   HA   _H24    74     1.08694   120.70024     0.26541
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  18   8  12   6  12   6   5   5   1  11   6
   8   5   4   7   6   2  10   4   4  13   7   3   2   1   1  13
   6   3   2   8   4   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    53    40    41    45    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    47    49    53    54    40    41    45    46    57    60  
   38    39    42    53    40    41    45    57  
   36    37  
   37  
    0  
   39    42    43    44    47    48    49    53    54    40    41    45    57    60    61    62    63    52  
   42    43    44    47    53    40    57    60  
   41    45    46    57    60    42    47    49    50    51    53    54  
   45    46    57    49    53    54  
   43    44    47    48    49    50    51    53    57    60    52    55  
   44    47    48    49    57    52  
   47    48    49    57    52  
   46    57    49    53    54  
   53  
   48    49    50    51    53    54    57    52    55    56    58  
   49    50    51    53    52    55  
   50    51    53    54    57    60    52    55  
   51    53    54    57    52  
   53    54    57    52  
   55    56    58    59    64    65    53  
   54    57    60    61    62    63  
   57    60  
   56    58    59    64    68    78    65    66    67    70  
   58    59    64    65  
   60    61    62    63  
   59    64    68    69    72    76    78    79    65    66    67    70    71  
   64    68    78    65    66    67    70  
   61    62    63  
   62    63  
   63  
    0  
   68    69    72    73    74    76    77    78    79    65    66    67    70  
   66    67    70    71    68    78  
   67    70    71  
   70    71  
   69    72    73    74    75    76    78    79  
   72    73    74    78  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    57   310.000  1.447
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    40   268.000  1.529
   53    57   310.000  1.447
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   57    60   310.000  1.447
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    55   214.000  1.327
   55    56   570.000  1.229
   55    58   317.000  1.522
   58    59   340.000  1.090
   58    64   317.000  1.510
   58    65   268.000  1.529
   64    68   469.000  1.400
   64    78   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    57    75.00000  113.73300
   33    40    53    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    57    53    80.00000  110.40700
   38    57    60    80.00000  110.40700
   42    38    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    52    50.00000  109.50000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    55    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    40    58.35000  112.70000
   49    53    57    75.00000  113.73300
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    40    41    37.50000  110.70000
   53    40    45    50.00000  109.50000
   53    57    60    80.00000  110.40700
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   57    38    39    50.00000  110.15500
   57    38    42    75.00000  113.73300
   57    53    54    50.00000  110.15500
   57    53    40    75.00000  113.73300
   57    60    61    50.00000  110.15500
   57    60    62    50.00000  110.15500
   57    60    63    50.00000  110.15500
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    55    56    83.00000  123.40000
   52    55    58    81.00000  111.40000
   55    58    59    35.00000  109.50000
   55    58    64    70.00000  110.93000
   55    58    65    63.00000  111.10000
   58    55    56    80.00000  120.40000
   58    64    68    70.00000  120.00000
   58    64    78    70.00000  120.00000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    70    50.00000  109.50000
   64    58    59    35.00000  109.50000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   64    78    76    63.00000  120.00000
   64    78    79    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   78    64    68    63.00000  120.00000
   78    76    77    35.00000  120.00000
   65    58    59    37.50000  110.70000
   65    58    64    70.00000  112.17500
   65    70    71    55.00000  108.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    57   0.56750  1.0 1.0
   29    33    38    57  -0.07550 -1.0 2.0
   29    33    38    57   0.20000  1.0 3.0
   29    33    40    53   0.44750  1.0 1.0
   29    33    40    53  -0.17800 -1.0 2.0
   29    33    40    53   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38   -57    53   1.99000  1.0 1.0
   33    38   -57    53   0.18800 -1.0 2.0
   33    38   -57    53   0.81350  1.0 3.0
   33    38    57    60   0.58650  1.0 1.0
   33    38    57    60   0.12600 -1.0 2.0
   33    38    57    60   0.33350  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    57   0.15000  1.0 3.0
   34    33    40    53   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    45   0.23400  1.0 3.0
   38    33   -40    53   0.56750  1.0 1.0
   38    33   -40    53  -0.07550 -1.0 2.0
   38    33   -40    53   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    45   0.86500  1.0 1.0
   38    33    40    45  -0.17500 -1.0 2.0
   38    33    40    45   0.20800  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.56750  1.0 1.0
   38    42    47    49  -0.07550 -1.0 2.0
   38    42    47    49   0.20000  1.0 3.0
   38    42    47    52   0.62750  1.0 1.0
   38    42    47    52  -0.30950 -1.0 2.0
   38    42    47    52   0.27300  1.0 3.0
   38    57    60    61   0.28000  1.0 3.0
   38    57    60    62   0.28000  1.0 3.0
   38    57    60    63   0.28000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    57    53   0.28000  1.0 3.0
   39    38    57    60   0.28000  1.0 3.0
   42    38    57    53   1.99000  1.0 1.0
   42    38    57    53   0.18800 -1.0 2.0
   42    38    57    53   0.81350  1.0 3.0
   42    38    57    60   0.58650  1.0 1.0
   42    38    57    60   0.12600 -1.0 2.0
   42    38    57    60   0.33350  1.0 3.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47   -49    53   0.56750  1.0 1.0
   42    47   -49    53  -0.07550 -1.0 2.0
   42    47   -49    53   0.20000  1.0 3.0
   42    47    52    55  -0.25900  1.0 1.0
   42    47    52    55  -0.47000 -1.0 2.0
   42    47    52    55   0.11750  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    52   0.23400  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    40   0.56750  1.0 1.0
   47    49    53    40  -0.07550 -1.0 2.0
   47    49    53    40   0.20000  1.0 3.0
   47    49    53    57   1.53400  1.0 1.0
   47    49    53    57  -0.09950 -1.0 2.0
   47    49    53    57   0.05700  1.0 3.0
   47    52    55    56   3.00000 -1.0 2.0
   47    52    55    58   1.63150  1.0 1.0
   47    52    55    58   2.92000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    55   0.08050  1.0 3.0
   49    47    52    55  -0.25900  1.0 1.0
   49    47    52    55  -0.47000 -1.0 2.0
   49    47    52    55   0.11750  1.0 3.0
   49    53    40    33   0.56750  1.0 1.0
   49    53    40    33  -0.07550 -1.0 2.0
   49    53    40    33   0.20000  1.0 3.0
   49    53    40    41   0.15000  1.0 3.0
   49    53    40    45   0.86500  1.0 1.0
   49    53    40    45  -0.17500 -1.0 2.0
   49    53    40    45   0.20800  1.0 3.0
   49    53   -57    38   1.99000  1.0 1.0
   49    53   -57    38   0.18800 -1.0 2.0
   49    53   -57    38   0.81350  1.0 3.0
   49    53    57    60   0.58650  1.0 1.0
   49    53    57    60   0.12600 -1.0 2.0
   49    53    57    60   0.33350  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    40   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    40   0.15000  1.0 3.0
   51    49    53    57   0.15000  1.0 3.0
   53    40    45    46  -0.11600  1.0 1.0
   53    40    45    46  -0.09450 -1.0 2.0
   53    40    45    46   0.21250  1.0 3.0
   53    57    60    61   0.28000  1.0 3.0
   53    57    60    62   0.28000  1.0 3.0
   53    57    60    63   0.28000  1.0 3.0
   54    53    40    33   0.15000  1.0 3.0
   54    53    40    41   0.15000  1.0 3.0
   54    53    40    45   0.23400  1.0 3.0
   54    53    57    38   0.28000  1.0 3.0
   54    53    57    60   0.28000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33   -38    57   1.53400  1.0 1.0
   40    33   -38    57  -0.09950 -1.0 2.0
   40    33   -38    57   0.05700  1.0 3.0
   40    53   -57    38   1.99000  1.0 1.0
   40    53   -57    38   0.18800 -1.0 2.0
   40    53   -57    38   0.81350  1.0 3.0
   40    53    57    60   0.58650  1.0 1.0
   40    53    57    60   0.12600 -1.0 2.0
   40    53    57    60   0.33350  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   57    38    42    43   0.15000  1.0 3.0
   57    38    42    44   0.15000  1.0 3.0
   57    38   -42    47   1.53400  1.0 1.0
   57    38   -42    47  -0.09950 -1.0 2.0
   57    38   -42    47   0.05700  1.0 3.0
   57    53   -40    33   1.53400  1.0 1.0
   57    53   -40    33  -0.09950 -1.0 2.0
   57    53   -40    33   0.05700  1.0 3.0
   57    53    40    41   0.15000  1.0 3.0
   57    53    40    45   3.18500  1.0 1.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    55    58    59   0.00000  1.0 1.0
   52    55    58    64   0.40000  1.0 3.0
   52    55    58    65   0.36750  1.0 3.0
   55    58    64    68   0.04300 -1.0 2.0
   55    58    64    78   0.04300 -1.0 2.0
   55    58    65    66  -0.11250  1.0 3.0
   55    58    65    67  -0.11250  1.0 3.0
   55    58    65    70  -0.09450  1.0 1.0
   55    58    65    70  -1.12950 -1.0 2.0
   55    58    65    70   0.54000  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    64   0.30150 -1.0 2.0
   56    55    58    65   0.30150 -1.0 2.0
   58    64    68    69   3.62500 -1.0 2.0
   58    64    68    72   3.62500 -1.0 2.0
   58    64    78    76   3.62500 -1.0 2.0
   58    64    78    79   3.62500 -1.0 2.0
   58    65    70    71  -0.11600  1.0 1.0
   58    65    70    71  -0.09450 -1.0 2.0
   58    65    70    71   0.21250  1.0 3.0
   59    58    64    68   0.00000  1.0 1.0
   59    58    64    78   0.00000  1.0 1.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    70   0.23400  1.0 3.0
   64    58    65    66   0.43200  1.0 3.0
   64    58    65    67   0.43200  1.0 3.0
   64    58    65    70   1.13150  1.0 1.0
   64    58    65    70  -1.01400 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68    72    74   3.62500 -1.0 2.0
   68    64    78    76   3.62500 -1.0 2.0
   68    64    78    79   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72   -74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -78    64   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   77    76    78    64   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    64    68    69   3.62500 -1.0 2.0
   78    64   -68    72   3.62500 -1.0 2.0
   65    58    64    68   0.04150 -1.0 2.0
   65    58    64    78   0.04150 -1.0 2.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   52    58    55    56  10.50000 -1.0 2.0
   68    78    64    58   4.00000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    64   1.10000 -1.0 2.0
END
